(1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol

C7H12FN3O2 — CID 165459336

IUPAC(1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol
SMILESCOC[C@@H](O)c1cnnn1CCF
InChIInChI=1S/C7H12FN3O2/c1-13-5-7(12)6-4-9-10-11(6)3-2-8/h4,7,12H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyDWLKPHLXEUBSKA-SSDOTTSWSA-N
MW189.19 g/mol
LogP-0.07
Rot. Bonds5

About (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol

(1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol (PubChem CID 165459336) has the molecular formula C7H12FN3O2 and a molecular weight of 189.19 g/mol. Its IUPAC name is (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol.

Molecular Properties

Compound Name(1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol
PubChem CID165459336
Molecular FormulaC7H12FN3O2
Molecular Weight189.19 g/mol
Exact Mass189.09
IUPAC Name(1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol
SMILESCOC[C@@H](O)c1cnnn1CCF
InChIInChI=1S/C7H12FN3O2/c1-13-5-7(12)6-4-9-10-11(6)3-2-8/h4,7,12H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyDWLKPHLXEUBSKA-SSDOTTSWSA-N
XLogP-0.07
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol
CID 165452402
(1S)-2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanol
CID 165457787
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
2-[3-(2-fluoroethyl)triazol-4-yl]propan-2-ol
CID 84654618
5-(1-bromo-2-methoxyethyl)-1-(2,2-difluoroethyl)triazole
CID 165459851
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
5-(1-bromo-2-methoxyethyl)-1-methyltriazole
CID 165452406
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide
CID 165459946
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol?
The IUPAC name of (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol (CID 165459336) is (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol.
What is the SMILES notation for (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol?
The canonical SMILES for (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol is COC[C@@H](O)c1cnnn1CCF.
What is the InChIKey of (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol?
The InChIKey is DWLKPHLXEUBSKA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12FN3O2/c1-13-5-7(12)6-4-9-10-11(6)3-2-8/h4,7,12H,2-3,5H2,1H3/t7-/m1/s1.
What are the key properties of (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol?
(1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol has a molecular weight of 189.19 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol is sourced from PubChem (CID 165459336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).